| CAS Number | 1152882-10-4 |
| Catalog Number | AG01BE8V |
| Chemical Name | 1-(3-methylphenyl)-5-propyl-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(3-methylphenyl)-5-propylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C14H16N2O2/c1-3-5-13-12(14(17)18)9-15-16(13)11-7-4-6-10(2)8-11/h4,6-9H,3,5H2,1-2H3,(H,17,18) |
| InChI Key | WMVLUGLNIKMNTD-UHFFFAOYSA-N |
| MDL Number | MFCD11532413 |
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.2890 |
| SMILES | CCCC1N(C2=CC(C)=CC=C2)N=CC=1C(O)=O |
| Synonyms | 1-(3-methylphenyl)-5-propyl-1H-pyrazole-4-carboxylic acid,
1152882-10-4,
ZINC20082321,
AKOS009185739,
NE45169,
Z1881598591,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.294g/mol |
| Monoisotopic Mass | 244.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number